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Home > Other Heterocycles > 65923-47-9
65923-47-9 | Spiro[3.4]octan-1-one, 3-phenyl-
CAS No: 65923-47-9 Catalog No: AG006MHR MDL No:
Product Description
Catalog Number:
AG006MHR
Chemical Name:
Spiro[3.4]octan-1-one, 3-phenyl-
CAS Number:
65923-47-9
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
1-phenylspiro[3.4]octan-3-one
InChI:
InChI=1S/C14H16O/c15-13-10-12(11-6-2-1-3-7-11)14(13)8-4-5-9-14/h1-3,6-7,12H,4-5,8-10H2
InChI Key:
NCZGDSDXWWVGBI-UHFFFAOYSA-N
SMILES:
O=C1CC(C21CCCC2)c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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